1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol

C12H9BrCl2OS — CID 102829814

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
SMILESOC(Cc1ccccc1Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9BrCl2OS/c13-8-6-11(17-12(8)15)10(16)5-7-3-1-2-4-9(7)14/h1-4,6,10,16H,5H2
InChIKeyCUUYDQZUFQDKTH-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.09
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol

1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol (PubChem CID 102829814) has the molecular formula C12H9BrCl2OS and a molecular weight of 352.08 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
PubChem CID102829814
Molecular FormulaC12H9BrCl2OS
Molecular Weight352.08 g/mol
Exact Mass349.89
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
SMILESOC(Cc1ccccc1Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9BrCl2OS/c13-8-6-11(17-12(8)15)10(16)5-7-3-1-2-4-9(7)14/h1-4,6,10,16H,5H2
InChIKeyCUUYDQZUFQDKTH-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol
CID 102830296
1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 102830009
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol (CID 102829814) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol is OC(Cc1ccccc1Cl)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol?
The InChIKey is CUUYDQZUFQDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2OS/c13-8-6-11(17-12(8)15)10(16)5-7-3-1-2-4-9(7)14/h1-4,6,10,16H,5H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol has a molecular weight of 352.08 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol is sourced from PubChem (CID 102829814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).